Petr Bour

According to our database, Petr Bour authored at least 12 papers between 1997 and 2015.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2015

Origin-independent sum over states simulations of magnetic and electronic circular dichroism spectra via the localized orbital/local origin method.

Petr Stepánek, Petr Bour

J. Comput. Chem., 2015

2014

Molecular dynamics with helical periodic boundary conditions.

Jirí Kessler, Petr Bour

J. Comput. Chem., 2014

2013

Transition polarizability model of induced resonance Raman optical activity.

Shigeki Yamamoto, Petr Bour

J. Comput. Chem., 2013

Computation of magnetic circular dichroism by sum-over-states summations.

Petr Stepánek, Petr Bour

J. Comput. Chem., 2013

Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties.

Jirí Kessler, Martin Dracínský, Petr Bour

J. Comput. Chem., 2013

2012

Binding energies of five molecular pincers calculated by explicit and implicit solvent models.

Jirí Kessler, Milan Jakubek, Bohumil Dolenský, Petr Bour

J. Comput. Chem., 2012

Vibrational averaging of the chemical shift in crystalline α-glycine.

Martin Dracínský, Petr Bour

J. Comput. Chem., 2012

2010

Conformational behavior of simple furanosides studied by optical rotation.

Jakub Kaminský, Ivan Raich, Katerina Tomcáková, Petr Bour

J. Comput. Chem., 2010

2009

Molecular dynamics with restrictions derived from optical spectra.

Jakub Kaminský, Jirí Sebek, Petr Bour

J. Comput. Chem., 2009

2008

Circular dichroism enhancement in large DNA aggregates simulated by a generalized oscillator model.

Valery Andrushchenko, Petr Bour

J. Comput. Chem., 2008

2007

Comparison of the numerical stability of methods for anharmonic calculations of vibrational molecular energies.

Petr Danecek, Petr Bour

J. Comput. Chem., 2007

1997

Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra.

Petr Bour, Jana Sopková, Lucie Bednárová, Petr Malon, Timothy A. Keiderling

J. Comput. Chem., 1997